1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole

C10H18N2O3S — CID 116804432

IUPAC1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole
SMILESCCn1cc(OCCCS(=O)(=O)CC)cn1
InChIInChI=1S/C10H18N2O3S/c1-3-12-9-10(8-11-12)15-6-5-7-16(13,14)4-2/h8-9H,3-7H2,1-2H3
InChIKeyILBGXLWVVFGDAK-UHFFFAOYSA-N
MW246.33 g/mol
LogP1.11
Rot. Bonds7

About 1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole

1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole (PubChem CID 116804432) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole.

Molecular Properties

Compound Name1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole
PubChem CID116804432
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole
SMILESCCn1cc(OCCCS(=O)(=O)CC)cn1
InChIInChI=1S/C10H18N2O3S/c1-3-12-9-10(8-11-12)15-6-5-7-16(13,14)4-2/h8-9H,3-7H2,1-2H3
InChIKeyILBGXLWVVFGDAK-UHFFFAOYSA-N
XLogP1.11
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-hexoxypyrazole
CID 116804751
4-(1-ethylpyrazol-4-yl)oxybutan-1-amine
CID 116800659
1-ethyl-4-pent-4-enoxypyrazole
CID 116804504
4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol
CID 116802475
methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate
CID 116800049
1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole
CID 103184424
5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine
CID 116803192
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
1-ethyl-4-[(2-methylpropan-2-yl)oxy]pyrazole
CID 117229710
N-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine
CID 116803738
4-(3-bromo-2,2-dimethylpropoxy)-1-ethylpyrazole
CID 116800878
methyl 2-(1-ethylpyrazol-4-yl)oxyacetate
CID 116800028

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole?
The IUPAC name of 1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole (CID 116804432) is 1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole.
What is the SMILES notation for 1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole?
The canonical SMILES for 1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole is CCn1cc(OCCCS(=O)(=O)CC)cn1.
What is the InChIKey of 1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole?
The InChIKey is ILBGXLWVVFGDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-3-12-9-10(8-11-12)15-6-5-7-16(13,14)4-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole?
1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole has a molecular weight of 246.33 g/mol, XLogP of 1.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole is sourced from PubChem (CID 116804432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).